5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole

5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole

The asymmetric unit of the title compound, C4H5N7, comprises two independent but virtually superimposable molecules. Each molecule is planar with the dihedral angles between the five-membered rings being 2.8 (3) and 2.1 (3)°. The crystal structure is formed b...

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Bibliographic Details
Main Authors: Bing Liu, João P. C. Tomé, Luís Cunha-Silva, Filipe A. Almeida Paz
Format: Article
Language:English
Published: International Union of Crystallography 2012-09-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812034691
Description
Summary:The asymmetric unit of the title compound, C4H5N7, comprises two independent but virtually superimposable molecules. Each molecule is planar with the dihedral angles between the five-membered rings being 2.8 (3) and 2.1 (3)°. The crystal structure is formed by an extensive network of relatively strong N—H...N hydrogen-bond interactions. Individual molecules are arranged into supramolecular zigzag chains running parallel to [001] by way of the strongest N—H...N interactions. Adjacent chains are interconnected by rather long (D...A distances range from ca 3.00 to 3.03 Å) but highly directional (interaction angles above ca 173°) hydrogen bonds forming a supramolecular layer in the bc plane.
ISSN:1600-5368

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